6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide

C24H27N5O4 — CID 135567253

IUPAC6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide
SMILESCN(C1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C=C4C(=C3)C(=NN4)C(=O)N5CCCC5)O
InChIInChI=1S/C24H27N5O4/c1-27(16-4-6-17(7-5-16)28-10-12-33-13-11-28)23(31)19-14-18-20(15-21(19)30)25-26-22(18)24(32)29-8-2-3-9-29/h4-7,14-15,30H,2-3,8-13H2,1H3,(H,25,26)
InChIKeyPAGPOZMFSDBEOC-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.80
Rot. Bonds4

About 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide

6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide (PubChem CID 135567253) has the molecular formula C24H27N5O4 and a molecular weight of 449.50 g/mol. Its IUPAC name is 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide
PubChem CID135567253
Molecular FormulaC24H27N5O4
Molecular Weight449.50 g/mol
Exact Mass449.21
IUPAC Name6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide
SMILESCN(C1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C=C4C(=C3)C(=NN4)C(=O)N5CCCC5)O
InChIInChI=1S/C24H27N5O4/c1-27(16-4-6-17(7-5-16)28-10-12-33-13-11-28)23(31)19-14-18-20(15-21(19)30)25-26-22(18)24(32)29-8-2-3-9-29/h4-7,14-15,30H,2-3,8-13H2,1H3,(H,25,26)
InChIKeyPAGPOZMFSDBEOC-UHFFFAOYSA-N
XLogP2.80
TPSA102.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity703

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137349251
6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]-1H-indazole-5-carboxamide
CID 137631287
6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
CID 135567214
3-N-butyl-6-hydroxy-3-N,5-N-dimethyl-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
CID 135567215
3-(3,3-dimethylbutyl)-6-hydroxy-N-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-2H-indazole-5-carboxamide
CID 135567216
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
6-hydroxy-N-[[3-(methanesulfonamido)phenyl]methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630319
6-hydroxy-N-[[4-(methanesulfonamido)phenyl]methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630320

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide?
The IUPAC name of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide (CID 135567253) is 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide is CN(C1=CC=C(C=C1)N2CCOCC2)C(=O)C3=C(C=C4C(=C3)C(=NN4)C(=O)N5CCCC5)O.
What is the InChIKey of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide?
The InChIKey is PAGPOZMFSDBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-27(16-4-6-17(7-5-16)28-10-12-33-13-11-28)23(31)19-14-18-20(15-21(19)30)25-26-22(18)24(32)29-8-2-3-9-29/h4-7,14-15,30H,2-3,8-13H2,1H3,(H,25,26).
What are the key properties of 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide?
6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-methyl-N-(4-morpholin-4-ylphenyl)-3-(pyrrolidine-1-carbonyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 135567253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).